SCHEMBL16840141

SCHEMBL16840141

CC(C)[C@]1(O)CC[C@@H](C(N)=O)CC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.38
HSD11B1 P28845 2/20 0.35
GAA P10253 1/20 0.34
PKM P14618 1/20 0.33
LMNA P02545 1/20 0.32
EPHX1 P07099 2/20 0.32
ALDH1A1 P00352 2/20 0.31
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
ATM Q13315 1/20 0.31
CYP2D6 P10635 1/20 0.31
ALOX5 P09917 1/20 0.31
MME P08473 1/20 0.31
MEN1 O00255 1/20 0.31
APEX1 P27695 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16840139 1.00 SMN1; SMN2 (0.38) SMN1; SMN2HSD11B1GAAPKMLMNA
SCHEMBL16750082 0.81 TSHR (0.39) HSD11B1LMNAMAPTTDP1
SCHEMBL16750080 0.81 TSHR (0.39) HSD11B1LMNAMAPTTDP1
SCHEMBL17322954 0.81 HSD11B1 (0.35) HSD11B1
SCHEMBL16840142 0.81 HSD11B1 (0.35) HSD11B1
SCHEMBL16840137 0.81 HSD11B1 (0.35) HSD11B1
SCHEMBL16000454 0.81 TSHR (0.39) HSD11B1LMNAMAPTTDP1
SCHEMBL12194557 0.80 EPHX1 (0.34) SMN1; SMN2EPHX1ALDH1A1KMT2AKDM4E
SCHEMBL25001002 0.79 SMN1; SMN2 (0.38) SMN1; SMN2HSD11B1GAALMNAEPHX1
SCHEMBL17586745 0.78 SMN1; SMN2 (0.37) SMN1; SMN2HSD11B1GAAEPHX1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9487504-B2 Imidazolyl analogs as syk inhibitors MERCK SHARP & DOHME CORP. (US) 2016-11-08 US disclosed
US-20150175575-A1 IMIDAZOLYL ANALOGS AS SYK INHIBITORS MERCK SHARP & DOHME LLC 2015-06-25 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150175575-A1 IMIDAZOLYL ANALOGS AS SYK INHIBITORS SYK, BTK, LCK SMN1; SMN2 4507/4885HSD11B1 1021/4885GAA 1522/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.